4-Ethoxy-3-methoxybenzaldehyde

HCID 67116
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Basic information

CAS
120-25-2
Standard SMILES
CCOc1ccc(C=O)cc1OC
InChIKey
BERFDQAMXIBOHM-UHFFFAOYSA-N
Molecular formula
C10H12O3
Average molar mass
180.2 g/mol
Monoisotopic mass
180.07864424

Overview

4-Ethoxy-3-methoxybenzaldehyde is a carbonyl compound.

Names & identifiers

Preferred name
4-Ethoxy-3-methoxybenzaldehyde
IUPAC
4-ethoxy-3-methoxybenzaldehyde
English name
4-Ethoxy-3-methoxybenzaldehyde
Molecular formula
C10H12O3
Molecular weight
180.2

Names & synonyms

4-Ethoxy-3-methoxybenzaldehyde120-25-24-Ethoxy-m-anisaldehydeBenzaldehyde, 4-ethoxy-3-methoxy-vanillin ethyl etherEM2BBS3H883-methoxy-4-ethoxybenzaldehydeEINECS 204-382-1NSC 16945NSC-16945AI3-21263DTXSID3059509
Show more names
AKOS B028863ASISCHEM N422434-Ethoxyvanillin4-O-EthylvanillinAKOS BBS-000032424-Ethoxy-3-methoxybeOTAVA-BB BB70204017314-Ethoxy-m-anisaldehyd
RefChem:98827DTXCID1033533BERFDQAMXIBOHM-UHFFFAOYSA-NInChI=1/C10H12O3/c1-3-13-9-5-4-8(7-11)6-10(9)12-2/h4-7H,3H2,1-2H4-Ethoxy-3-anisaldehydeMFCD00016614Ethylvanillin?4-ethoxy-3-methoxy-benzaldehyde

Database identifiers

CAS
120-25-2
PubChem CID
67116
DTXSID
DTXSID3059509
ChEBI
CHEBI:173856
UNII
EM2BBS3H88
EC Number
204-382-1
Nikkaji
J136.528B

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
13

Experimental & physicochemical properties

LogP · 2 items

1.63

1.63

Flavoring AgentsEU Flavoring substances
Solubility1.16 mg/mL at 25 °C
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point288.00 to 289.00 °C. @ 760.00 mm Hg
Melting Point64 - 65 °C

Physicochemical properties

Melting point
50 · 50-53 °C (lit.)
Boiling point
168 °C · 168 °C
Density
1.1272 · 1.1272 (rough estimate)
refractive index
1.5224 · 1.5224 (estimate)
FLAVIS Number
5.066 · 05.066 | 4-Ethoxy-3-methoxybenzaldehyde
Flash point
110 °C · 110 °C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Benzaldehyde, 4-ethoxy-3-methoxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Benzaldehyde, 4-ethoxy-3-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
hs_code
29124900
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Uses & manufacturing

General Manufacturing InformationBenzaldehyde, 4-ethoxy-3-methoxy-: INACTIVE

Applications

UsesIntermediate.

Upstream & downstream products

Suppliers84 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: 4-Ethoxy-3-methoxybenzaldehyde is a carbonyl compound.

Related reactions

17 records
New reaction record

Compound notes

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